1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone

C16H20N2O — CID 79036611

IUPAC1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESCC1CN(C(=O)Cc2c[nH]c3ccccc23)CC1C
InChIInChI=1S/C16H20N2O/c1-11-9-18(10-12(11)2)16(19)7-13-8-17-15-6-4-3-5-14(13)15/h3-6,8,11-12,17H,7,9-10H2,1-2H3
InChIKeyKXGQIXWUBWRZTG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.82
Rot. Bonds2

About 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone

1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 79036611) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID79036611
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESCC1CN(C(=O)Cc2c[nH]c3ccccc23)CC1C
InChIInChI=1S/C16H20N2O/c1-11-9-18(10-12(11)2)16(19)7-13-8-17-15-6-4-3-5-14(13)15/h3-6,8,11-12,17H,7,9-10H2,1-2H3
InChIKeyKXGQIXWUBWRZTG-UHFFFAOYSA-N
XLogP2.82
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 71809253
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665707
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
1-[3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 156606885
(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124969435

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone (CID 79036611) is 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone is CC1CN(C(=O)Cc2c[nH]c3ccccc23)CC1C.
What is the InChIKey of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is KXGQIXWUBWRZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-9-18(10-12(11)2)16(19)7-13-8-17-15-6-4-3-5-14(13)15/h3-6,8,11-12,17H,7,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 79036611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).